CID 102166658

C25H36O4Si — CID 102166658

IUPAC—
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC[C@@H]2[C@]1(C)CC=C(C=O)[C@]21CCC2(C=CC(=O)C=C2)O1
InChIInChI=1S/C25H36O4Si/c1-22(2,3)30(5,6)28-21-8-7-20-23(21,4)12-9-18(17-26)25(20)16-15-24(29-25)13-10-19(27)11-14-24/h9-11,13-14,17,20-21H,7-8,12,15-16H2,1-6H3/t20-,21+,23+,25-/m1/s1
InChIKeyLZPLKWBWWLNUBK-YQHSJXJLSA-N
MW428.65 g/mol
LogP5.31
Rot. Bonds3

About CID 102166658

CID 102166658 (PubChem CID 102166658) has the molecular formula C25H36O4Si and a molecular weight of 428.65 g/mol.

Molecular Properties

Compound NameCID 102166658
PubChem CID102166658
Molecular FormulaC25H36O4Si
Molecular Weight428.65 g/mol
Exact Mass428.24
IUPAC Name—
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC[C@@H]2[C@]1(C)CC=C(C=O)[C@]21CCC2(C=CC(=O)C=C2)O1
InChIInChI=1S/C25H36O4Si/c1-22(2,3)30(5,6)28-21-8-7-20-23(21,4)12-9-18(17-26)25(20)16-15-24(29-25)13-10-19(27)11-14-24/h9-11,13-14,17,20-21H,7-8,12,15-16H2,1-6H3/t20-,21+,23+,25-/m1/s1
InChIKeyLZPLKWBWWLNUBK-YQHSJXJLSA-N
XLogP5.31
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.65
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 102166658?
The IUPAC name of CID 102166658 (CID 102166658) is not available.
What is the SMILES notation for CID 102166658?
The canonical SMILES for CID 102166658 is CC(C)(C)[Si](C)(C)O[C@H]1CC[C@@H]2[C@]1(C)CC=C(C=O)[C@]21CCC2(C=CC(=O)C=C2)O1.
What is the InChIKey of CID 102166658?
The InChIKey is LZPLKWBWWLNUBK-YQHSJXJLSA-N. The full InChI is InChI=1S/C25H36O4Si/c1-22(2,3)30(5,6)28-21-8-7-20-23(21,4)12-9-18(17-26)25(20)16-15-24(29-25)13-10-19(27)11-14-24/h9-11,13-14,17,20-21H,7-8,12,15-16H2,1-6H3/t20-,21+,23+,25-/m1/s1.
What are the key properties of CID 102166658?
CID 102166658 has a molecular weight of 428.65 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102166658 is sourced from PubChem (CID 102166658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).